Gajewicz, A.; Haranczyk, M.; Puzyn, T. Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?. Atmos. Environ. 2010, 44, 11, 1428–1436.
Compound
| ID: | PCDE-132 | |
|---|---|---|
| Name: | 2,3,4,2',3',6'-Hexachlorodiphenylether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Cl6O/c13-5-3-4-8(11(18)9(5)16)19-12-7(15)2-1-6(14)10(12)17/h1-4H |
Properties
logPL: Liquid vapor pressure [Pa]
| Value | Source or prediction |
|---|---|
| -3.75 |
experimental value |
| -3.387 |
Eq.2: GA-PLS model (Validation set) |